Information card for entry 2226896

Structure parameters

• Chemical name: 2,3-Dimethyl-<i>N</i>-[(<i>E</i>)-2,4,5-trimethoxybenzylidene]aniline
• Formula: C18 H21 N O3
• Calculated formula: C18 H21 N O3
• SMILES: O(c1c(/C=N/c2c(c(ccc2)C)C)cc(OC)c(OC)c1)C
• Title of publication: 2,3-Dimethyl-<i>N</i>-[(<i>E</i>)-2,4,5-trimethoxybenzylidene]aniline
• Authors of publication: Hussain, Abid; Tahir, M. Nawaz; Tariq, Muhammad Ilyas; Ahmad, Shahbaz; Asiri, Abdullah M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1953
• a: 7.004 ± 0.0002 Å
• b: 11.0396 ± 0.0004 Å
• c: 11.1585 ± 0.0004 Å
• α: 73.941 ± 0.001°
• β: 76.022 ± 0.002°
• γ: 82.079 ± 0.001°
• Cell volume: 802.24 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes